Quantitative Structure-Retention Relationship (QSRR) models are developed for the prediction of protein retention times in anion-exchange chromatography systems. Topological, subdivided surface area, and TAE (Transferable Atom Equivalent) electron-density-based descriptors are computed directly for a set of proteins using molecular connectivity patterns and… (More)

In this paper, a novel approach is described for the a priori prediction of protein retention in ion exchange systems. Quantitative structure retention relationship (QSRR) models based on a genetic algorithm/partial least squares approach were developed using experimental chromatographic data in concert with molecular descriptors computed using protein… (More)

Gypsum board is a common fire barrier used in house and general building construction. Recently, evaluation of the collapses of the World Trade Center Towers highlighted the potential role and failure of gypsum board in containing the fires and resisting damage. The use of gypsum board as primary fire protection of light-flame wood or steel construction is… (More)

Parallel batch screening experiments were carried out to examine how displacer chemistry and salt counterions affect the selectivity of batch protein displacements in anion exchange chromatographic systems. The results indicate that both salt type and displacer chemistry can have a significant impact on the amount of protein displaced. Importantly, the… (More)

The worldwide movement toward performance-based building codes is prompting the need for new computational methods to predict fire endurance of wood assemblies. Progress in the past twenty years in understanding fire endurance of individual solid wood components has been achieved in many different countries. The greatest opportunity for major advance in… (More)

We have recently developed a novel multivalent cationic library based on the derivatization of aminoglycosides by linear polyamines. In the current study, we describe the DNA-binding activity of this library. Screening results indicated that several candidates from the library showed high DNA-binding activities with some approaching those of cationic… (More)

Design of peptide affinity ligands against biological targets is important for a broad range of applications. Here, we report on de novo and combinatorial strategies for the design of high-affinity and high-specificity peptides against S-protein as a target. The peptide libraries employed in this study contain (1) consensus motif (CM) sequences identified… (More)

SAGE Abstract The thermoplastics within wood—plastic composites (WPCs) are known to experience significant time-dependent deformation or creep. In some formulations, creep deformation can be twice as much as the initial quasi-static strain in as little as 4 days. While extensive work has been done on the creep behavior of pure polymers, little information… (More)

Acknowledgements The authors gratefully acknowledge the support of the Wisconsin Highway Research Program for the financial support of this project. Accomplishment of the research was achieved through the valued contributions of a team of experts. The research team is particularly grateful for the extensive help and The donations of materials by material… (More)

In this paper, protein-surface interaction maps were generated by performing coarse-grained protein-surface calculations. This approach allowed for the rapid determination of the protein-surface interaction energies at a range of orientations and distances. Interaction maps of lysozyme indicated that there was a contiguous series of orientations… (More)